Molecule FYI-1009785

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Molecule Summary:

ID: FYI-1009785
Names: NICOTINE;
InChIKey: SNICXCGAKADSCV-JTQLQIEISA-N
SMILES: CN1CCCC1C2=CN=CC=C2

Received at FYIcenter.com on: 2024-05-17

Molecule ID: FYI-1009785 Edit

Molecule Names: NICOTINE;

Molecule Structure InChIKey: SNICXCGAKADSCV-JTQLQIEISA-N

Molecule Structure SMILES String: CN1CCCC1C2=CN=CC=C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009785
FYIcenter.com

 26 27  0     1  0  0  0  0  0999 V2000
    2.9511    1.3184    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6261   -1.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.7306    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5691    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125    0.4491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791    0.7814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355    1.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665    2.3983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    2.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    2.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    2.3983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    1.5990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.8178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916    0.4197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  1  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  2  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009785-3D
FYIcenter.com

 26 27  0     1  0  0  0  0  0999 V2000
   -1.7023   -0.7962   -0.0339 N   0  0  1  0  0  0  0  0  0  0  0  0
    2.2968   -0.7091    1.2171 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8846    0.3095   -0.5713 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4955    1.5824    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6857    1.0984    0.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0281   -0.2382    0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5872    0.1544   -0.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7618   -1.9503   -0.9217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5569    0.7025   -1.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0008   -0.5357    0.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9009    0.5451   -0.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2156   -0.1627    0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0084    0.3665   -1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8454    2.2456   -0.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8018    2.1528    0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3896    0.9650    1.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5220    1.8029    0.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6094   -0.8662    0.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6021   -0.0880   -0.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3643   -2.7460   -0.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7627   -2.3668   -1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1975   -1.7036   -1.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2798    1.2544   -1.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3027   -0.9778    1.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6775    0.9638   -1.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2491   -0.3134    0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  2  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-29, 166👍, 0💬